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Cas Database

164650-44-6

164650-44-6

164650-44-6

Identification

  • Product Name:KP 103

  • CAS Number: 164650-44-6

  • EINECS:813-597-5

  • Molecular Weight:348.39904

  • Molecular Formula: C18H22F2N4O

  • HS Code:

  • Mol File:164650-44-6.mol

Synonyms:KP-103; KP 103; (R,R)-2-(2,4-Difluorophenyl)-3-(4-methylenepiperidin-1-yl)-1-(1,2,4-triazol-1-yl)-2-butanol

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Chemical Properties

  • Boiling Point: 512.2±60.0 °C(Predicted)

  • Density: 1.26±0.1 g/cm3(Predicted)

  • Solubility:Chloroform (Slightly), Methanol (Slightly)

  • Storage Temp.:-20°C

  • PKA: 12.11±0.29(Predicted)

  • PSA: 54.18000

  • LogP: 2.42250

Safety information and MSDS view more

  • Signal Word:no data available

  • Hazard Statement:no data available

  • First-aid measures: General adviceConsult a physician. Show this safety data sheet to the doctor in attendance.If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

  • Fire-fighting measures: Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Wear self-contained breathing apparatus for firefighting if necessary.

  • Accidental release measures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8. Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

  • Handling and storage: Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2. Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

  • Exposure controls/personal protection:Occupational Exposure limit valuesBiological limit values Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Eye/face protection Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Respiratory protection Wear dust mask when handling large quantities. Thermal hazards

Supplier and reference price view more

  • Manufacture/Brand
  • Product Description
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  • Price
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  • Manufacture/Brand:TRC
  • Product Description:Efinaconazole
  • Packaging:10mg
  • Price:$ 225
  • Delivery:In stock
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  • Manufacture/Brand:DC Chemicals
  • Product Description:Efinaconazole(KP-103) >98%
  • Packaging:1 g
  • Price:$ 2500
  • Delivery:In stock
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  • Manufacture/Brand:DC Chemicals
  • Product Description:Efinaconazole(KP-103) >98%
  • Packaging:100 mg
  • Price:$ 700
  • Delivery:In stock
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  • Manufacture/Brand:Crysdot
  • Product Description:Efinaconazole 98+%
  • Packaging:100mg
  • Price:$ 218
  • Delivery:In stock
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  • Manufacture/Brand:ChemScene
  • Product Description:Efinaconazole 99.83%
  • Packaging:50mg
  • Price:$ 190
  • Delivery:In stock
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  • Manufacture/Brand:ChemScene
  • Product Description:Efinaconazole 99.83%
  • Packaging:5mg
  • Price:$ 50
  • Delivery:In stock
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  • Manufacture/Brand:ChemScene
  • Product Description:Efinaconazole 99.83%
  • Packaging:100mg
  • Price:$ 290
  • Delivery:In stock
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  • Manufacture/Brand:Chemenu
  • Product Description:(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol 98%
  • Packaging:100mg
  • Price:$ 776
  • Delivery:In stock
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  • Manufacture/Brand:Cayman Chemical
  • Product Description:Efinaconazole ≥98%
  • Packaging:100mg
  • Price:$ 546
  • Delivery:In stock
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  • Manufacture/Brand:Cayman Chemical
  • Product Description:Efinaconazole ≥98%
  • Packaging:5mg
  • Price:$ 39
  • Delivery:In stock
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Relevant articles and documentsAll total 30 Articles be found

Identification, synthesis, and control of efinaconazole impurities

Zhu, Fuqiang,Zhang, Jian,Xiamuxi, Hainimu,Chen, Weiming,Hu, Tianwen,Yang, Xiaojun,Tian, Guanghui,Ni, Runyan,Li, Jian,Suo, Jin,Xie, Yuanchao,Shen, Jingshan,Aisa, Haji A.,He, Yang

, p. 438 - 441 (2018)

Impurities A-F were observed, identified, and confirmed during the efinaconazole production process. The possible formation pathways of the mentioned impurities were understood, and thereafter, a controlling strategy was established by locating the proper process parameters with the consideration of efficient cost and less waste as well. This impurity investigation is also essential for quality control of consistently delivering of qualified efinaconazole API.

Asymmetric Catalytic Epoxidation of Terminal Enones for the Synthesis of Triazole Antifungal Agents

Feng, Xiaoming,He, Qianwen,Liu, Xiaohua,Zhang, Dong,Zhang, Fengcai

supporting information, p. 6961 - 6966 (2021/09/11)

An enantioselective epoxidation of α-substituted vinyl ketones was realized to construct the key epoxide intermediates for the synthesis of various triazole antifungal agents. The reaction proceeded efficiently in high yields with good enantioselectivities by employing a chiral N,N′-dioxide/ScIII complex as the chiral catalyst and 35% aq. H2O2 as the oxidant. It enabled the facile transformation for optically active isavuconazole, efinaconazole, and other potential antifungal agents.

PREPARATION METHOD FOR EFINACONAZOLE

-

Paragraph 0031-0048, (2021/11/26)

The present invention provides a preparation method for Efinaconazole, comprising the following steps: in the presence of a bromide and a base, subjecting (2R,3S)-2-(2,4-difluorophenyl)-3-methyl-2-[(1H-1,2,4-triazole-1-yl)methyl]oxirane and an inorganic a

Process route upstream and downstream products

Process route

4-methylene piperidine
148133-82-8

4-methylene piperidine

1-(((2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)-methyl)-1H-1,2,4-triazole
124627-86-7,132563-70-3,132563-77-0,135270-07-4,135270-10-9,135270-13-2,141611-70-3,127000-90-2

1-(((2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)-methyl)-1H-1,2,4-triazole

(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidine-1-yl)-1-(1H-1,2,4-triazole-1-yl)-butane-2-ol
164650-45-7,164650-44-6

(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidine-1-yl)-1-(1H-1,2,4-triazole-1-yl)-butane-2-ol

Conditions
Conditions Yield
With strontium perchlorate hydrate; In acetonitrile; at 90 ℃; for 1.5h; Reagent/catalyst; Solvent; Temperature;
98%
In ethanol; at 120 ℃; for 6h; enantioselective reaction; Inert atmosphere; Microwave irradiation;
90%
In ethanol; at 120 ℃; for 6h; Microwave irradiation;
84%
4-methylene piperidine; With lithium hydroxide; In acetonitrile; for 0.25h;
1-(((2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)-methyl)-1H-1,2,4-triazole; With potassium iodide; In acetonitrile; Reflux;
75.8%
4-methylene piperidine; 1-(((2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)-methyl)-1H-1,2,4-triazole; With lithium bromide; In acetonitrile;
1-(((2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)-methyl)-1H-1,2,4-triazole; In acetonitrile; for 24h; Reflux;
72.46%
In ethanol; water; at 85 ℃; for 24h;
54%
With zinc(II) chloride; In tert-Amyl alcohol; for 24h; Reagent/catalyst; Reflux;
1 g
1-(((2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)-methyl)-1H-1,2,4-triazole
124627-86-7,132563-70-3,132563-77-0,135270-07-4,135270-10-9,135270-13-2,141611-70-3,127000-90-2

1-(((2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)-methyl)-1H-1,2,4-triazole

4-methylenepiperidine monohydrochloride
144230-50-2

4-methylenepiperidine monohydrochloride

(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidine-1-yl)-1-(1H-1,2,4-triazole-1-yl)-butane-2-ol
164650-45-7,164650-44-6

(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidine-1-yl)-1-(1H-1,2,4-triazole-1-yl)-butane-2-ol

Conditions
Conditions Yield
4-methylenepiperidine monohydrochloride; With sodium hydroxide; In acetonitrile; at 25 ℃; for 0.5h;
1-(((2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)-methyl)-1H-1,2,4-triazole; With lithium iodide; In acetonitrile; at 85 ℃; for 5h; Reagent/catalyst;
96%
With potassium iodide; lithium hydroxide; In acetonitrile; for 8h; Reagent/catalyst; Solvent; Reflux;
87.8%
With potassium hydroxide; lithium bromide; In acetonitrile; at 85 - 90 ℃; for 20h; Reagent/catalyst; Solvent; Large scale;
86.91%
With N-ethyl-N,N-diisopropylamine; magnesium chloride; In acetonitrile; at 0 - 75 ℃; for 16h; Reagent/catalyst; Temperature; Solvent;
84%
4-methylenepiperidine monohydrochloride; With potassium hydroxide; In water; at 23 - 28 ℃; for 2h;
1-(((2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)-methyl)-1H-1,2,4-triazole; With 1-ethyl-3-methylimidazol-3-ium ethyl sulfate; at 100 ℃; for 6h; Temperature;
80%
4-methylenepiperidine monohydrochloride; With potassium hydroxide; In water; at 23 - 28 ℃; for 2h;
1-(((2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)-methyl)-1H-1,2,4-triazole; With water; 1-ethyl-3-methylimidazol-3-ium ethyl sulfate; at 100 ℃; for 6h;
80%
With potassium hydroxide; sodium chloride; In ethanol; hexane; ethyl acetate;
4-methylenepiperidine monohydrochloride; With water; lithium carbonate; lithium bromide; In ethanol; at 0.25 - 30 ℃; for 72h; Reflux;
1-(((2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)-methyl)-1H-1,2,4-triazole; In ethanol; for 72h; Solvent; Reagent/catalyst; Temperature; Reflux;
4-methylenepiperidine monohydrochloride; With sodium hydroxide; In dichloromethane; at 0 - 5 ℃; for 1h;
1-(((2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)-methyl)-1H-1,2,4-triazole; With lithium bromide; In acetonitrile; at 20 - 100 ℃; Solvent;
para-toluenesulphonic acid efinaconazole salt
164650-61-7

para-toluenesulphonic acid efinaconazole salt

(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidine-1-yl)-1-(1H-1,2,4-triazole-1-yl)-butane-2-ol
164650-45-7,164650-44-6

(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidine-1-yl)-1-(1H-1,2,4-triazole-1-yl)-butane-2-ol

Conditions
Conditions Yield
With sodium hydroxide; In ethanol; water; at 0 - 5 ℃; pH=11;
98%
para-toluenesulphonic acid efinaconazole salt; In methanol; water; at 50 - 55 ℃; for 0.5h; Inert atmosphere;
With sodium hydroxide; In methanol; water; at 30 - 35 ℃; for 0.5h; Inert atmosphere;
97%
1,5-dibromo-3-methylene pentane

1,5-dibromo-3-methylene pentane

(2R,3R)-3-Amino-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol
127000-91-3

(2R,3R)-3-Amino-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol

(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidine-1-yl)-1-(1H-1,2,4-triazole-1-yl)-butane-2-ol
164650-45-7,164650-44-6

(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidine-1-yl)-1-(1H-1,2,4-triazole-1-yl)-butane-2-ol

Conditions
Conditions Yield
With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 16h; Inert atmosphere;
85%
With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl acetamide; at 80 ℃; for 24h; Inert atmosphere;
32 mg
1,5-dichloro-3-methylenepentane

1,5-dichloro-3-methylenepentane

(2R,3R)-3-Amino-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol
127000-91-3

(2R,3R)-3-Amino-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol

(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidine-1-yl)-1-(1H-1,2,4-triazole-1-yl)-butane-2-ol
164650-45-7,164650-44-6

(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidine-1-yl)-1-(1H-1,2,4-triazole-1-yl)-butane-2-ol

Conditions
Conditions Yield
With triethylamine; In N,N-dimethyl acetamide; at 50 - 75 ℃; for 20.5h; Temperature; Reagent/catalyst;
86.2%
4-methylene piperidine
148133-82-8

4-methylene piperidine

(R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-one

(R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-one

(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidine-1-yl)-1-(1H-1,2,4-triazole-1-yl)-butane-2-ol
164650-45-7,164650-44-6

(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidine-1-yl)-1-(1H-1,2,4-triazole-1-yl)-butane-2-ol

Conditions
Conditions Yield
With sodium tris(acetoxy)borohydride; acetic acid; In dichloromethane; at 20 - 30 ℃; for 18h; Inert atmosphere; Molecular sieve;
79%
(3S)-2-(2,4-difluorophenyl)-3-methyl-[(1H-1,2,4-triazol-1-yl)methyl]oxirane

(3S)-2-(2,4-difluorophenyl)-3-methyl-[(1H-1,2,4-triazol-1-yl)methyl]oxirane

4-methylenepiperidine monohydrochloride
144230-50-2

4-methylenepiperidine monohydrochloride

(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidine-1-yl)-1-(1H-1,2,4-triazole-1-yl)-butane-2-ol
164650-45-7,164650-44-6

(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidine-1-yl)-1-(1H-1,2,4-triazole-1-yl)-butane-2-ol

Conditions
Conditions Yield
4-methylenepiperidine monohydrochloride; With lithium hydroxide monohydrate; In water; at 20 ℃; for 0.5h;
(3S)-2-(2,4-difluorophenyl)-3-methyl-[(1H-1,2,4-triazol-1-yl)methyl]oxirane; In water; at 80 - 100 ℃; for 18h; Solvent; Time; Temperature;
92%
(2R,3S)-2-(2,4-difluorophenyl)-3-methyl-2[(1H-1,2,4-triazol-1-yl)methyl]oxirane

(2R,3S)-2-(2,4-difluorophenyl)-3-methyl-2[(1H-1,2,4-triazol-1-yl)methyl]oxirane

4-methylenepiperidine monohydrochloride
144230-50-2

4-methylenepiperidine monohydrochloride

(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidine-1-yl)-1-(1H-1,2,4-triazole-1-yl)-butane-2-ol
164650-45-7,164650-44-6

(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidine-1-yl)-1-(1H-1,2,4-triazole-1-yl)-butane-2-ol

Conditions
Conditions Yield
4-methylenepiperidine monohydrochloride; With potassium hydroxide;
(2R,3S)-2-(2,4-difluorophenyl)-3-methyl-2[(1H-1,2,4-triazol-1-yl)methyl]oxirane; With lithium perchlorate; In acetonitrile; at 100 ℃; for 24h;
82%
(2S,3S)-2-(2,4-difluorophenyl)-3-methyl-2-(1H-1,2,4-triazol-1-yl)methyloxirane
135270-10-9

(2S,3S)-2-(2,4-difluorophenyl)-3-methyl-2-(1H-1,2,4-triazol-1-yl)methyloxirane

4-methylenepiperidine monohydrochloride
144230-50-2

4-methylenepiperidine monohydrochloride

(2S,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidin-1-yl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol
164650-45-7,164650-44-6

(2S,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidin-1-yl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol

Conditions
Conditions Yield
With lithium hydroxide monohydrate; In acetonitrile; at 80 ℃; for 15h;
60%
4-methylenepiperidine hydrobromide
3522-98-3

4-methylenepiperidine hydrobromide

1-(((2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)-methyl)-1H-1,2,4-triazole
124627-86-7,132563-70-3,132563-77-0,135270-07-4,135270-10-9,135270-13-2,141611-70-3,127000-90-2

1-(((2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)-methyl)-1H-1,2,4-triazole

(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidine-1-yl)-1-(1H-1,2,4-triazole-1-yl)-butane-2-ol
164650-45-7,164650-44-6

(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidine-1-yl)-1-(1H-1,2,4-triazole-1-yl)-butane-2-ol

Conditions
Conditions Yield
With lithium hydroxide; In acetonitrile; for 14h; Reagent/catalyst; Solvent; Time; Reflux;
87.3%

164650-44-6 Upstream products

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